3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide

C14H14N2O4 — CID 103955476

IUPAC3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(O)c(O)c2)cn1
InChIInChI=1S/C14H14N2O4/c1-20-13-5-2-9(7-15-13)8-16-14(19)10-3-4-11(17)12(18)6-10/h2-7,17-18H,8H2,1H3,(H,16,19)
InChIKeyPKTSXNQOCODNAY-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.43
Rot. Bonds4

About 3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide

3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide (PubChem CID 103955476) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
PubChem CID103955476
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(O)c(O)c2)cn1
InChIInChI=1S/C14H14N2O4/c1-20-13-5-2-9(7-15-13)8-16-14(19)10-3-4-11(17)12(18)6-10/h2-7,17-18H,8H2,1H3,(H,16,19)
InChIKeyPKTSXNQOCODNAY-UHFFFAOYSA-N
XLogP1.43
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
CID 61275557
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998680
3-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 51306028
N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
CID 24589971
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 55152846
2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114326282
4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 62991496
3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51305940
N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]naphthalene-2-carboxamide
CID 17420778

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide (CID 103955476) is 3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(O)c(O)c2)cn1.
What is the InChIKey of 3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide?
The InChIKey is PKTSXNQOCODNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-20-13-5-2-9(7-15-13)8-16-14(19)10-3-4-11(17)12(18)6-10/h2-7,17-18H,8H2,1H3,(H,16,19).
What are the key properties of 3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide?
3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide has a molecular weight of 274.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 103955476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).